1-ethyl-3-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl]indole-2-carboxylic acid

Systemtic Name: 1-ethyl-3-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl]indole-2-carboxylic acid Openeye Name: 1-ethyl-3-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]indole-2-carboxylic acid CAS Name: 1-ethyl-3-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-2-indolecarboxylic acid IUPAC Name: 1-ethyl-3-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]indole-2-carboxylic acid Traditional Name: 1-ethyl-3-[2-keto-2-(3,4,5-trimethoxyanilino)ethyl]indole-2-carboxylic acid Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H24N2O6/c1-5-24-16-9-7-6-8-14(16)15(20(24)22(26)27)12-19(25)23-13-10-17(28-2)21(30-4)18(11-13)29-3/h6-11H,5,12H2,1-4H3,(H,23,25)(H,26,27)